SCHEMBL15033990

SCHEMBL15033990

COc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4cccc(OC)c4)C(=O)C3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SCN9A Q15858 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
ROCK2 O75116 1/20 0.39
PKM P14618 1/20 0.39
CCKAR P32238 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15033929 0.95 GRM5 (0.47) GRM5LMNASCN9AKMT2AMEN1
SCHEMBL15034002 0.92 GRM5 (0.58) GRM5LMNAL3MBTL1SCN9AKMT2A
SCHEMBL15033973 0.87 GRM5 (0.54) GRM5SCN9ASMN1; SMN2MAPTMAPK1
SCHEMBL15033940 0.83 GRM5 (0.62) GRM5SCN9AMAPTCCKARENPP2
SCHEMBL15034523 0.79 GRM5 (0.53) GRM5L3MBTL1SCN9AKMT2AMEN1
SCHEMBL15034526 0.79 GRM5 (0.52) GRM5LMNAL3MBTL1KMT2AMEN1
SCHEMBL15034530 0.77 L3MBTL1 (0.52) GRM5L3MBTL1KMT2AMEN1HPGD
SCHEMBL15034553 0.77 L3MBTL1 (0.52) GRM5L3MBTL1KMT2AMEN1HPGD
SCHEMBL15034556 0.77 SMN1; SMN2 (0.51) GRM5LMNAL3MBTL1SCN9AHPGD
SCHEMBL15034527 0.77 HSD17B10 (0.59) GRM5LMNAL3MBTL1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
US-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130158011-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 GRM5 1/4885LMNA 4743/4885L3MBTL1 3183/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.